Spektraris NMR
(18alpha)-Olean-12-ene-3beta,30-diol
Common Name: (18alpha)-Olean-12-ene-3beta,30-diol
Synonyms: (18alpha)-Olean-12-ene-3beta,30-diol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)22-10-13-30(7)23(28(22,5)12-11-24(25)32)9-8-20-21-18-26(3,19-31)14-15-27(21,4)16-17-29(20,30)6/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=OYONPFUYHNGECE-VPXREVCBSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duddeck H., Elgamal M.H.A., Ricca G.S., Danieli B., Palmisano G. Org Magn Reson (1978) 11, 130
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.2 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.1 |
| 8 (C) | 39.5 |
| 9 (CH) | 47.2 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 116.9 |
| 13 (C) | 141.9 |
| 14 (C) | 43.6 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 38.8 |
| 17 (C) | 35 |
| 18 (CH) | 39.6 |
| 19 (CH2) | 36.3 |
| 20 (C) | 36.2 |
| 21 (CH2) | 32.3 |
| 22 (CH2) | 28.5 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.2 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 23.1 |
| 28 (CH3) | 17.4 |
| 29 (CH3) | 20.6 |
| 30 (CH2) | 74.9 |
